2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide

C14H27N3O2 — CID 76926843

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
SMILESCCCC1CCC(NC(=O)C(CC)C(N)=NO)CC1
InChIInChI=1S/C14H27N3O2/c1-3-5-10-6-8-11(9-7-10)16-14(18)12(4-2)13(15)17-19/h10-12,19H,3-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyJFTONWGIKHSCFS-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.23
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide

2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide (PubChem CID 76926843) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
PubChem CID76926843
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
SMILESCCCC1CCC(NC(=O)C(CC)C(N)=NO)CC1
InChIInChI=1S/C14H27N3O2/c1-3-5-10-6-8-11(9-7-10)16-14(18)12(4-2)13(15)17-19/h10-12,19H,3-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyJFTONWGIKHSCFS-UHFFFAOYSA-N
XLogP2.23
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
CID 76924883
N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107856119
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide (CID 76926843) is 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide is CCCC1CCC(NC(=O)C(CC)C(N)=NO)CC1.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide?
The InChIKey is JFTONWGIKHSCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-10-6-8-11(9-7-10)16-14(18)12(4-2)13(15)17-19/h10-12,19H,3-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide has a molecular weight of 269.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide is sourced from PubChem (CID 76926843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).